methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[(3-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazin-4-ium-1-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[(4-m-anisylpiperazin-4-ium-1-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-25-15-5-3-4-14(12-15)13-21-7-9-22(10-8-21)19(24)20-16-6-11-27-17(16)18(23)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)/p+1